Information card for entry 1567590

Structure parameters

• Formula: C30 H20 Cl6 O P
• Calculated formula: C30 H20 Cl6 O P
• Title of publication: Palladium-catalysed C–H arylation of benzophospholes with aryl halides
• Authors of publication: Xu, Shibo; Nishimura, Kazutoshi; Saito, Kosuke; Hirano, Koji; Miura, Masahiro
• Journal of publication: Chemical Science
• Year of publication: 2022
• a: 10.0941 ± 0.0003 Å
• b: 10.4249 ± 0.0003 Å
• c: 15.3161 ± 0.0003 Å
• α: 73.955 ± 0.002°
• β: 87.469 ± 0.002°
• γ: 73.633 ± 0.003°
• Cell volume: 1485.17 ± 0.07 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0877
• Residual factor for significantly intense reflections: 0.0633
• Weighted residual factors for significantly intense reflections: 0.168
• Weighted residual factors for all reflections included in the refinement: 0.1847
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No